2,3,5,5,6,7-hexamethylnonane

C15H32 — CID 91311352

IUPAC2,3,5,5,6,7-hexamethylnonane
SMILESCCC(C)C(C)C(C)(C)CC(C)C(C)C
InChIInChI=1S/C15H32/c1-9-12(4)14(6)15(7,8)10-13(5)11(2)3/h11-14H,9-10H2,1-8H3
InChIKeyXJQMECVEYSSBNC-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.38
Rot. Bonds6

About 2,3,5,5,6,7-hexamethylnonane

2,3,5,5,6,7-hexamethylnonane (PubChem CID 91311352) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,3,5,5,6,7-hexamethylnonane.

Molecular Properties

Compound Name2,3,5,5,6,7-hexamethylnonane
PubChem CID91311352
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,3,5,5,6,7-hexamethylnonane
SMILESCCC(C)C(C)C(C)(C)CC(C)C(C)C
InChIInChI=1S/C15H32/c1-9-12(4)14(6)15(7,8)10-13(5)11(2)3/h11-14H,9-10H2,1-8H3
InChIKeyXJQMECVEYSSBNC-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,5,5,6,7-hexamethylnonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,4,5,6-pentamethyloctane
CID 57491109
4,4,5,6-tetramethyloctan-2-ol
CID 156689477
(3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane
CID 159937980
2,2,3,4,5-pentamethylheptane
CID 53428630
(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
3,3,4,5,7-pentamethyl-6-propan-2-ylnonane
CID 91511171
2,3,5,6,7,7-hexamethylnonane
CID 123984490
2,2,3,4,5,5,7-heptamethylnonane
CID 123300553
(4S)-2,3,4-trimethylhexane
CID 58359072
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,3-dimethylpentane;ethane;methane
CID 143379754
3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol
CID 140680514

Frequently Asked Questions

What is the IUPAC name of 2,3,5,5,6,7-hexamethylnonane?
The IUPAC name of 2,3,5,5,6,7-hexamethylnonane (CID 91311352) is 2,3,5,5,6,7-hexamethylnonane.
What is the SMILES notation for 2,3,5,5,6,7-hexamethylnonane?
The canonical SMILES for 2,3,5,5,6,7-hexamethylnonane is CCC(C)C(C)C(C)(C)CC(C)C(C)C.
What is the InChIKey of 2,3,5,5,6,7-hexamethylnonane?
The InChIKey is XJQMECVEYSSBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-9-12(4)14(6)15(7,8)10-13(5)11(2)3/h11-14H,9-10H2,1-8H3.
What are the key properties of 2,3,5,5,6,7-hexamethylnonane?
2,3,5,5,6,7-hexamethylnonane has a molecular weight of 212.42 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5,6,7-hexamethylnonane is sourced from PubChem (CID 91311352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).